5-bromanyl-2-methoxy-4-[2-[[(4-methoxyphenyl)-(2-piperidin-1-ylphenyl)methyl]amino]-2-oxidanylidene-ethyl]benzoic acid

Systemtic Name: 5-bromanyl-2-methoxy-4-[2-[[(4-methoxyphenyl)-(2-piperidin-1-ylphenyl)methyl]amino]-2-oxidanylidene-ethyl]benzoic acid Openeye Name: 5-bromo-2-methoxy-4-[2-[[(4-methoxyphenyl)-[2-(1-piperidyl)phenyl]methyl]amino]-2-oxo-ethyl]benzoic acid CAS Name: 5-bromo-2-methoxy-4-[2-[[(4-methoxyphenyl)-[2-(1-piperidinyl)phenyl]methyl]amino]-2-oxoethyl]benzoic acid IUPAC Name: 5-bromo-2-methoxy-4-[2-[[(4-methoxyphenyl)-(2-piperidin-1-ylphenyl)methyl]amino]-2-oxoethyl]benzoic acid Traditional Name: 5-bromo-4-[2-keto-2-[[(4-methoxyphenyl)-(2-piperidinophenyl)methyl]amino]ethyl]-2-methoxy-benzoic acid Formula: C29H31BrN2O5 MolecularWeight: 567.47084

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=CC=C2N3CCCCC3)NC(=O)CC4=C(C=C(C(=C4)OC)C(=O)O)Br

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=CC=C2N3CCCCC3)NC(=O)CC4=C(C=C(C(=C4)OC)C(=O)O)Br

InChI

InChI=1S/C29H31BrN2O5/c1-36-21-12-10-19(11-13-21)28(22-8-4-5-9-25(22)32-14-6-3-7-15-32)31-27(33)17-20-16-26(37-2)23(29(34)35)18-24(20)30/h4-5,8-13,16,18,28H,3,6-7,14-15,17H2,1-2H3,(H,31,33)(H,34,35)